Rosetta 3.3
Functions | Variables
src/apps/public/match/gen_lig_grids.cc File Reference

generate matcher grids for a protein with a ligand More...

#include <iostream>
#include <map>
#include <string>
#include <core/init.hh>
#include <core/types.hh>
#include <core/io/pdb/file_data.hh>
#include <core/io/pdb/pose_io.hh>
#include <core/pose/Pose.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/chemical/MMAtomTypeSet.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/conformation/Residue.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/option_macros.hh>
#include <basic/Tracer.hh>
#include <core/scoring/packstat/compute_sasa.hh>
#include <protocols/jobdist/Jobs.hh>
#include <protocols/jobdist/standard_mains.hh>
#include <utility/string_util.hh>
#include <utility/file/FileName.hh>
#include <utility/file/file_sys_util.hh>
#include <basic/options/keys/packstat.OptionKeys.gen.hh>
#include <ObjexxFCL/format.hh>
#include <utility/exit.hh>
#include <utility/io/izstream.hh>
#include <utility/io/ozstream.hh>
#include <numeric/xyz.functions.hh>
#include <core/import_pose/import_pose.hh>

Functions

void assure (std::ifstream &in, const char *filename="")
void assure (std::ofstream &in, const char *filename="")
int main (int argc, char *argv[])

Variables

basic::Tracer TR ("apps.public.match.gen_lig_grids")

Detailed Description

generate matcher grids for a protein with a ligand

Author:
Yuan Liu flags example -ignore_unrecognized_res -grid_delta 0.5 -grid_lig_cutoff 4.0 -grid_bb_cutoff 2.25 -grid_active_res_cutoff 5.0

Function Documentation

void assure ( std::ifstream &  in,
const char *  filename = "" 
) [inline]

References TR, and utility_exit_with_message.

void assure ( std::ofstream &  in,
const char *  filename = "" 
) [inline]
int main ( int  argc,
char *  argv[] 
)

Variable Documentation

basic::Tracer TR("apps.public.match.gen_lig_grids")
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